ChemSpider 2D Image | 1-(Benzyloxy)-3-[{[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl}(3-methylbutyl)amino]-2-propanol | C29H40FN3O3

1-(Benzyloxy)-3-[{[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl}(3-methylbutyl)amino]-2-propanol

  • Molecular FormulaC29H40FN3O3
  • Average mass497.645 Da
  • Monoisotopic mass497.305359 Da
  • ChemSpider ID22690894

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(Benzyloxy)-3-[{[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl}(3-methylbutyl)amino]-2-propanol [ACD/IUPAC Name]
1-(Benzyloxy)-3-[{[5-(diéthylamino)-3-(4-fluorophényl)-1,2-oxazol-4-yl]méthyl}(3-méthylbutyl)amino]-2-propanol [French] [ACD/IUPAC Name]
1-(Benzyloxy)-3-[{[5-(diethylamino)-3-(4-fluorphenyl)-1,2-oxazol-4-yl]methyl}(3-methylbutyl)amino]-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-[[[5-(diethylamino)-3-(4-fluorophenyl)-4-isoxazolyl]methyl](3-methylbutyl)amino]-3-(phenylmethoxy)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 638.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 339.8±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 875.02
ACD/KOC (pH 5.5): 2135.82
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 9962.12
ACD/KOC (pH 7.4): 24316.23
Polar Surface Area: 62 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 443.4±3.0 cm3

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